Compound Detail
CHEMBL62912
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Basic Information
| ChEMBL ID | CHEMBL62912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKDBLHWERQWYKF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
2.04
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.18
Kd 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.99 | 4.99 | 10232.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 0.1995 | nM | 9.7 | Ability to reverse inhibitory effects of UK-14304 on the contraction of guinea p... | 2570150 |
| Adrenergic receptor alpha-2 | Ki | = | 0.6607 | nM | 9.18 | Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical me... | 2570150 |
| Adrenergic receptor alpha-1 | Ki | = | 10232.93 | nM | 4.99 | Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortical me... | 2570150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2570150 | 10.1021/jm00129a002 | Adrenergic receptor alpha-2 | 2 |
| 2570150 | 10.1021/jm00129a002 | Rattus norvegicus | 2 |
| 2570150 | 10.1021/jm00129a002 | Unchecked | 2 |
| 2570150 | 10.1021/jm00129a002 | Adrenergic receptor alpha-1 | 1 |
| 2570150 | 10.1021/jm00129a002 | Oryctolagus cuniculus | 1 |
| 2570150 | 10.1021/jm00129a002 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine